1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-N-methylethanamine

C14H26N4O2S — CID 63852803

IUPAC1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-N-methylethanamine
SMILESCCn1cc(S(=O)(=O)N2CCCCC2C(C)NC)nc1C
InChIInChI=1S/C14H26N4O2S/c1-5-17-10-14(16-12(17)3)21(19,20)18-9-7-6-8-13(18)11(2)15-4/h10-11,13,15H,5-9H2,1-4H3
InChIKeyIOZNOFWWECWZMD-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.36
Rot. Bonds5

About 1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-N-methylethanamine

1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-N-methylethanamine (PubChem CID 63852803) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is 1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-N-methylethanamine
PubChem CID63852803
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-N-methylethanamine
SMILESCCn1cc(S(=O)(=O)N2CCCCC2C(C)NC)nc1C
InChIInChI=1S/C14H26N4O2S/c1-5-17-10-14(16-12(17)3)21(19,20)18-9-7-6-8-13(18)11(2)15-4/h10-11,13,15H,5-9H2,1-4H3
InChIKeyIOZNOFWWECWZMD-UHFFFAOYSA-N
XLogP1.36
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-N-methylethanamine?
The IUPAC name of 1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-N-methylethanamine (CID 63852803) is 1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-N-methylethanamine is CCn1cc(S(=O)(=O)N2CCCCC2C(C)NC)nc1C.
What is the InChIKey of 1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-N-methylethanamine?
The InChIKey is IOZNOFWWECWZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-5-17-10-14(16-12(17)3)21(19,20)18-9-7-6-8-13(18)11(2)15-4/h10-11,13,15H,5-9H2,1-4H3.
What are the key properties of 1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-N-methylethanamine?
1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-N-methylethanamine has a molecular weight of 314.46 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-N-methylethanamine is sourced from PubChem (CID 63852803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).